General Information of the Compound
| Compound ID |
CP0417990
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| Compound Name |
1-(3-chloro-5-(5-fluoro-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C22H16ClF5N4O3S
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| Molecular Weight |
546.905
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(c(F)s1)-c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H16ClF5N4O3S/c23-14-8-12(9-29-18(14)32-5-3-10(4-6-32)20(34)35)19(33)31-21-30-16(17(25)36-21)11-1-2-15(24)13(7-11)22(26,27)28/h1-2,7-10H,3-6H2,(H,34,35)(H,30,31,33)
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| InChIKey |
WPHUOGQIPMUSNW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound